UCSF

ZINC35017071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.05 -12.38 3 6 0 84 338.429 8
Mid Mid (pH 6-8) 1.68 4.93 -36.63 2 6 -1 90 337.421 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )